SCHEMBL24067976

SCHEMBL24067976

CC(C)C(=O)NCCSCc1ccc(CSCCNC(=O)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
LMNA P02545 2/20 0.52
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 5/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
POLB P06746 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22667770 0.76 ALDH1A1 (0.56) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL14521484 0.76 TSHR (0.45) ALDH1A1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL14702014 0.75 ALDH1A1 (0.72) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL14077043 0.73 KMT2A (0.43) ALDH1A1LMNAKMT2ACYP2D6CYP2C9
SCHEMBL25791501 0.73 TSHR (0.47) ALDH1A1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL24811359 0.73 TSHR (0.42) ALDH1A1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL17468450 0.72 ALDH1A1 (0.69) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL18775352 0.72 ALDH1A1 (0.68) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL24581306 0.71 TSHR (0.41) ALDH1A1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL11191170 0.71 VNN1 (0.64) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210370242-A1 FILTRATION APPARATUS CONTAINING GRAPHENE OXIDE MEMBRANE VIA SEPARATIONS, INC. (US) 2021-12-02 US disclosed